| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 60.1 | Low | 84.2 | Confident | 192 Ų | 192 | 82.2 Ų | 82.2 | 95% | 0.946 | 49% | 0.487 | S | S | * | . | 0 | 153.4 | 0 | -71 | -176 | -132.4 | 0 | 0 | 107.4 | |||||
| 2 | S | 76.4 | Confident | 85.2 | Confident | 68 Ų | 68 | 84.8 Ų | 84.8 | 48% | 0.476 | 50% | 0.496 | S | S | . | . | trans | -76.8 | 151 | 176.4 | 73.9 | 0 | 0 | 0 | 0 | 109.3 | A4 S5 D6 | S2-A4 PolarHBondContact O-N 3.1Å; S2-A4 VanDerWaalsContact O-N 3.13Å; S2-S5 WeakPolarHBondContact O-CA 3.32Å; S2-S5 VanDerWaalsContact O-CB 3.3Å; S2-S5 WeakPolarHBondContact O-CB 3.28Å; S2-S5 PolarHBondContact O-N 3.5Å; S2-S5 PolarHBondContact OG-N 3.1Å; S2-S5 PolarHBondContact OG-OG 3.5Å; S2-S5 VanDerWaalsContact OG-OG 3.1Å; S2-D6 PolarHBondContact O-N 2.98Å | ||
| 3 | A | 72.3 | Confident | 86 | Confident | 78 Ų | 78 | 90.9 Ų | 90.9 | 65% | 0.645 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -55.1 | -32 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S5 D6 V7 | A3-S5 VanDerWaalsContact C-N 3.35Å; A3-S5 PolarHBondContact O-N 3.09Å; A3-D6 PolarHBondContact O-N 3.33Å; A3-V7 WeakPolarHBondContact O-CG2 3.3Å; A3-V7 PolarHBondContact O-N 2.96Å; A3-V7 VanDerWaalsContact O-N 3.16Å |
| 4 | A | 78.6 | Confident | 86.7 | Confident | 61 Ų | 61 | 84.7 Ų | 84.7 | 50% | 0.504 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.6 | -35.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | S2 D6 N8 | S2-A4 PolarHBondContact O-N 3.1Å; S2-A4 VanDerWaalsContact O-N 3.13Å; A4-D6 VanDerWaalsContact C-N 3.34Å; A4-N8 VanDerWaalsContact O-CB 3.32Å; A4-N8 WeakPolarHBondContact O-CB 3.46Å; A4-N8 PolarHBondContact O-N 3.28Å; A4-N8 VanDerWaalsContact O-N 3.09Å; A4-N8 PolarHBondContact O-ND2 2.87Å; A4-N8 VanDerWaalsContact O-ND2 3.1Å |
| 5 | S | 87.1 | Confident | 87.4 | Confident | 50 Ų | 50 | 81.1 Ų | 81.1 | 35% | 0.35 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65.5 | -39.1 | 174.7 | -58.9 | 0 | 0 | 0 | 0 | 111.7 | S2 A3 N8 L9 | S2-S5 WeakPolarHBondContact O-CA 3.32Å; S2-S5 VanDerWaalsContact O-CB 3.3Å; S2-S5 WeakPolarHBondContact O-CB 3.28Å; S2-S5 PolarHBondContact O-N 3.5Å; S2-S5 PolarHBondContact OG-N 3.1Å; S2-S5 PolarHBondContact OG-OG 3.5Å; S2-S5 VanDerWaalsContact OG-OG 3.1Å; A3-S5 VanDerWaalsContact C-N 3.35Å; A3-S5 PolarHBondContact O-N 3.09Å; S5-N8 PolarHBondContact O-N 3.13Å; S5-L9 WeakPolarHBondContact O-CB 3.46Å; S5-L9 VanDerWaalsContact O-CG 3.28Å; S5-L9 WeakPolarHBondContact O-CG 3.49Å; S5-L9 PolarHBondContact O-N 3.16Å |
| 6 | D | 87.6 | Confident | 88 | Confident | 82 Ų | 82 | 84.1 Ų | 84.1 | 44% | 0.439 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -70.3 | -43.5 | -177.6 | -61.5 | -32.1 | 0 | 0 | 0 | 111.5 | S2 A3 A4 N8 L9 M10 | S2-D6 PolarHBondContact O-N 2.98Å; A3-D6 PolarHBondContact O-N 3.33Å; A4-D6 VanDerWaalsContact C-N 3.34Å; D6-N8 PolarHBondContact O-N 3.3Å; D6-L9 PolarHBondContact O-N 3.32Å; D6-M10 WeakPolarHBondContact O-CB 3.42Å; D6-M10 PolarHBondContact O-N 3.48Å |
| 7 | V | 89.8 | Confident | 88.5 | Confident | 72 Ų | 72 | 86.4 Ų | 86.4 | 44% | 0.436 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63 | -42.5 | 174.4 | 174.8 | 0 | 0 | 0 | 0 | 111.5 | A3 L9 M10 L11 | A3-V7 WeakPolarHBondContact O-CG2 3.3Å; A3-V7 PolarHBondContact O-N 2.96Å; A3-V7 VanDerWaalsContact O-N 3.16Å; V7-L9 PolarHBondContact O-N 3.43Å; V7-M10 WeakPolarHBondContact O-CB 3.46Å; V7-M10 PolarHBondContact O-N 3.04Å; V7-L11 PolarHBondContact O-N 3.46Å |
| 8 | N | 92 | Very high | 89 | Confident | 92 Ų | 92 | 83.9 Ų | 83.9 | 49% | 0.492 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.1 | -39.7 | 177.6 | -73.1 | -21.5 | 0 | 0 | 0 | 112.2 | A4 S5 D6 M10 L11 L12 | A4-N8 VanDerWaalsContact O-CB 3.32Å; A4-N8 WeakPolarHBondContact O-CB 3.46Å; A4-N8 PolarHBondContact O-N 3.28Å; A4-N8 VanDerWaalsContact O-N 3.09Å; A4-N8 PolarHBondContact O-ND2 2.87Å; A4-N8 VanDerWaalsContact O-ND2 3.1Å; S5-N8 PolarHBondContact O-N 3.13Å; D6-N8 PolarHBondContact O-N 3.3Å; N8-M10 VanDerWaalsContact C-N 3.33Å; N8-L11 PolarHBondContact O-N 3Å; N8-L12 VanDerWaalsContact O-CG 3.31Å; N8-L12 WeakPolarHBondContact O-CG 2.88Å; N8-L12 PolarHBondContact O-N 2.93Å |
| 9 | L | 93.7 | Very high | 89.4 | Confident | 76 Ų | 76 | 82.3 Ų | 82.3 | 40% | 0.398 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.9 | -40.4 | 175.1 | -78.5 | 172.1 | 0 | 0 | 0 | 111.7 | S5 D6 V7 L12 R13 | S5-L9 WeakPolarHBondContact O-CB 3.46Å; S5-L9 VanDerWaalsContact O-CG 3.28Å; S5-L9 WeakPolarHBondContact O-CG 3.49Å; S5-L9 PolarHBondContact O-N 3.16Å; D6-L9 PolarHBondContact O-N 3.32Å; V7-L9 PolarHBondContact O-N 3.43Å; L9-L12 PolarHBondContact O-N 3.44Å; L9-R13 WeakPolarHBondContact O-CB 3.31Å; L9-R13 VanDerWaalsContact O-CG 3.29Å; L9-R13 WeakPolarHBondContact O-CG 3.29Å; L9-R13 PolarHBondContact O-N 3.29Å |
| 10 | M | 93.5 | Very high | 89.8 | Confident | 66 Ų | 66 | 78.8 Ų | 78.8 | 33% | 0.325 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.7 | -47.6 | 176.1 | -171.7 | 175.5 | 168.3 | 0 | 0 | 111.2 | D6 V7 N8 L12 R13 S14 E45 V46 | D6-M10 WeakPolarHBondContact O-CB 3.42Å; D6-M10 PolarHBondContact O-N 3.48Å; V7-M10 WeakPolarHBondContact O-CB 3.46Å; V7-M10 PolarHBondContact O-N 3.04Å; N8-M10 VanDerWaalsContact C-N 3.33Å; M10-L12 PolarHBondContact O-N 3.27Å; M10-R13 PolarHBondContact O-N 2.77Å; M10-S14 PolarHBondContact O-N 3.49Å; M10-S14 PolarHBondContact O-OG 3.44Å; M10-E45 WeakPolarHBondContact CE-O 3.31Å; M10-V46 HydrophobicContact CG-CG2 4.49Å |
| 11 | L | 95 | Very high | 90.1 | Very high | 67 Ų | 67 | 76.7 Ų | 76.7 | 35% | 0.351 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -55.8 | -49.2 | 174.7 | 175.8 | 63.4 | 0 | 0 | 0 | 112.3 | V7 N8 R13 S14 V15 V42 V46 | V7-L11 PolarHBondContact O-N 3.46Å; N8-L11 PolarHBondContact O-N 3Å; L11-R13 VanDerWaalsContact C-N 3.34Å; L11-R13 PolarHBondContact O-N 2.81Å; L11-S14 PolarHBondContact O-N 3.37Å; L11-V15 HydrophobicContact CD1-CG2 4.26Å; L11-V15 WeakPolarHBondContact O-CG2 3.44Å; L11-V15 PolarHBondContact O-N 3.36Å; L11-V42 HydrophobicContact CD1-CG1 3.6Å; L11-V46 HydrophobicContact CB-CG2 4.34Å; L11-V46 HydrophobicContact CD1-CG2 4.19Å |
| 12 | L | 96.2 | Very high | 91.8 | Very high | 114 Ų | 114 | 73 Ų | 73 | 60% | 0.597 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -62.8 | -40.5 | -179.2 | -71.6 | 170.8 | 0 | 0 | 0 | 112 | N8 L9 M10 S14 V15 E16 | N8-L12 VanDerWaalsContact O-CG 3.31Å; N8-L12 WeakPolarHBondContact O-CG 2.88Å; N8-L12 PolarHBondContact O-N 2.93Å; L9-L12 PolarHBondContact O-N 3.44Å; M10-L12 PolarHBondContact O-N 3.27Å; L12-S14 VanDerWaalsContact C-N 3.35Å; L12-V15 PolarHBondContact O-N 3.29Å; L12-E16 WeakPolarHBondContact O-CB 3.48Å; L12-E16 PolarHBondContact O-N 2.99Å |
| 13 | R | 95.9 | Very high | 92.8 | Very high | 164 Ų | 164 | 72.2 Ų | 72.2 | 62% | 0.619 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -64.6 | -37.8 | 175.7 | -74.6 | 173.5 | 176.5 | 176.5 | 1 | 112.5 | L9 M10 L11 | L9-R13 WeakPolarHBondContact O-CB 3.31Å; L9-R13 VanDerWaalsContact O-CG 3.29Å; L9-R13 WeakPolarHBondContact O-CG 3.29Å; L9-R13 PolarHBondContact O-N 3.29Å; M10-R13 PolarHBondContact O-N 2.77Å; L11-R13 VanDerWaalsContact C-N 3.34Å; L11-R13 PolarHBondContact O-N 2.81Å |
| 14 | S | 96.3 | Very high | 94 | Very high | 4 Ų | 4 | 78 Ų | 78 | 3% | 0.028 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -68.3 | -41.3 | 175.5 | -66 | 0 | 0 | 0 | 0 | 111.6 | M10 L11 L12 K17 E45 | M10-S14 PolarHBondContact O-N 3.49Å; M10-S14 PolarHBondContact O-OG 3.44Å; L11-S14 PolarHBondContact O-N 3.37Å; L12-S14 VanDerWaalsContact C-N 3.35Å; S14-K17 PolarHBondContact O-N 3.22Å; S14-E45 VanDerWaalsContact CB-OE2 3.22Å; S14-E45 WeakPolarHBondContact CB-OE2 3.44Å; S14-E45 WeakPolarHBondContact OG-CB 3.39Å; S14-E45 PolarHBondContact OG-OE2 2.92Å |
| 15 | V | 97 | Very high | 94.9 | Very high | 30 Ų | 30 | 81 Ų | 81 | 18% | 0.182 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -64.6 | -39.1 | 175.5 | 170.6 | 0 | 0 | 0 | 0 | 111.9 | L11 L12 K17 Q18 L21 Y22 W39 V42 | L11-V15 HydrophobicContact CD1-CG2 4.26Å; L11-V15 WeakPolarHBondContact O-CG2 3.44Å; L11-V15 PolarHBondContact O-N 3.36Å; L12-V15 PolarHBondContact O-N 3.29Å; V15-K17 PolarHBondContact O-N 3.35Å; V15-Q18 PolarHBondContact O-N 3.07Å; V15-L21 HydrophobicContact CG1-CD1 4.25Å; V15-Y22 HydrophobicContact CG1-CD1 4.43Å; V15-W39 HydrophobicContact CG2-CH2 4.17Å; V15-W39 HydrophobicContact CG2-CZ3 3.95Å; V15-V42 HydrophobicContact CG2-CG1 4.06Å; V15-V42 HydrophobicContact CG2-CG2 4.05Å |
| 16 | E | 97.3 | Very high | 95.3 | Very high | 130 Ų | 130 | 80 Ų | 80 | 61% | 0.607 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -57.7 | -32.3 | 178.1 | -176.1 | 178.3 | -155.2 | 0 | 0 | 112.7 | L12 Q18 Y22 | L12-E16 WeakPolarHBondContact O-CB 3.48Å; L12-E16 PolarHBondContact O-N 2.99Å; E16-Q18 PolarHBondContact O-N 3.36Å; E16-Y22 PolarHBondContact O-OH 2.87Å; E16-Y22 VanDerWaalsContact O-OH 3.07Å |
| 17 | K | 96.6 | Very high | 95.7 | Very high | 123 Ų | 123 | 83.4 Ų | 83.4 | 54% | 0.535 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -18.7 | 176.2 | -62.3 | 168.4 | -174.8 | 169 | 0 | 113.5 | S14 V15 E45 | S14-K17 PolarHBondContact O-N 3.22Å; V15-K17 PolarHBondContact O-N 3.35Å; K17-E45 IonicContact NZ-OE1 2.81Å; K17-E45 PolarHBondContact NZ-OE1 2.95Å; K17-E45 IonicContact NZ-OE2 2.77Å; K17-E45 PolarHBondContact NZ-OE2 2.95Å |
| 18 | Q | 97 | Very high | 96.1 | Very high | 41 Ų | 41 | 82 Ų | 82 | 19% | 0.192 | 39% | 0.394 | C | S | . | . | trans | -107.3 | 75.2 | -173.3 | -51.4 | -53.8 | -42.9 | 0 | 0 | 110.5 | V15 E16 A20 L21 A38 V42 | V15-Q18 PolarHBondContact O-N 3.07Å; E16-Q18 PolarHBondContact O-N 3.36Å; Q18-A20 PolarHBondContact O-N 2.62Å; Q18-A20 VanDerWaalsContact O-N 3.12Å; Q18-L21 HydrophobicContact CB-CD1 3.8Å; Q18-L21 HydrophobicContact CB-CG 4Å; Q18-L21 HydrophobicContact CG-CD1 4.49Å; Q18-L21 WeakPolarHBondContact O-CB 3.31Å; Q18-L21 PolarHBondContact O-N 3.24Å; Q18-A38 HydrophobicContact CB-CB 3.82Å; Q18-A38 HydrophobicContact CG-CB 4.13Å; Q18-V42 HydrophobicContact CG-CG2 3.88Å | ||
| 19 | T | 96.8 | Very high | 96.3 | Very high | 53 Ų | 53 | 80.2 Ų | 80.2 | 33% | 0.325 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -56.1 | -31.3 | -175.5 | 46.3 | 0 | 0 | 0 | 0 | 113.7 | L21 Y22 D23 D26 | T19-L21 PolarHBondContact O-N 3.02Å; T19-Y22 PolarHBondContact O-N 3.17Å; T19-D23 WeakPolarHBondContact O-CB 3.47Å; T19-D23 PolarHBondContact O-N 3.45Å; T19-D26 WeakPolarHBondContact CB-OD2 3.22Å; T19-D26 PolarHBondContact OG1-OD2 3.39Å |
| 20 | A | 96.8 | Very high | 96.1 | Very high | 12 Ų | 12 | 85.5 Ų | 85.5 | 10% | 0.099 | 40% | 0.396 | C | S | . | . | G | 310 helix | trans | -53.9 | -22.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q18 D26 N28 P34 | Q18-A20 PolarHBondContact O-N 2.62Å; Q18-A20 VanDerWaalsContact O-N 3.12Å; A20-D26 PolarHBondContact N-OD2 2.99Å; A20-N28 HydrophobicContact CB-CB 4.11Å; A20-P34 HydrophobicContact CB-CB 4.41Å |
| 21 | L | 96.2 | Very high | 96.3 | Very high | 35 Ų | 35 | 87 Ų | 87 | 18% | 0.183 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -79.8 | -29.8 | 179.2 | -62 | -178.3 | 0 | 0 | 0 | 113.8 | V15 Q18 T19 A38 W39 V42 | V15-L21 HydrophobicContact CG1-CD1 4.25Å; Q18-L21 HydrophobicContact CB-CD1 3.8Å; Q18-L21 HydrophobicContact CB-CG 4Å; Q18-L21 HydrophobicContact CG-CD1 4.49Å; Q18-L21 WeakPolarHBondContact O-CB 3.31Å; Q18-L21 PolarHBondContact O-N 3.24Å; T19-L21 PolarHBondContact O-N 3.02Å; L21-A38 HydrophobicContact CD1-CB 4.13Å; L21-A38 HydrophobicContact CD2-CB 3.72Å; L21-A38 HydrophobicContact CG-CB 3.78Å; L21-W39 HydrophobicContact CD1-CD2 4.12Å; L21-W39 HydrophobicContact CD1-CE3 4.28Å; L21-W39 HydrophobicContact CD1-CH2 4.21Å; L21-W39 HydrophobicContact CD1-CZ2 4.05Å; L21-W39 HydrophobicContact CD1-CZ3 4.33Å; L21-W39 HydrophobicContact CD2-CD2 4.25Å; L21-W39 HydrophobicContact CD2-CG 4.27Å; L21-W39 HydrophobicContact CD2-CZ2 4.25Å; L21-V42 HydrophobicContact CD1-CG2 4.3Å |
| 22 | Y | 95.6 | Very high | 96.3 | Very high | 115 Ų | 115 | 93.1 Ų | 93.1 | 45% | 0.451 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -139.6 | -27.4 | -168.5 | 71.2 | -93.3 | 0 | 0 | 0 | 115.5 | V15 E16 T19 R24 | V15-Y22 HydrophobicContact CG1-CD1 4.43Å; E16-Y22 PolarHBondContact O-OH 2.87Å; E16-Y22 VanDerWaalsContact O-OH 3.07Å; T19-Y22 PolarHBondContact O-N 3.17Å; Y22-R24 PolarHBondContact O-N 2.96Å |
| 23 | D | 97.4 | Very high | 96.4 | Very high | 51 Ų | 51 | 93 Ų | 93 | 27% | 0.273 | 42% | 0.418 | S | S | . | . | trans | -81.1 | 117 | -178.1 | -175.9 | -5.6 | 0 | 0 | 0 | 110.3 | T19 T25 D26 Y29 | T19-D23 WeakPolarHBondContact O-CB 3.47Å; T19-D23 PolarHBondContact O-N 3.45Å; D23-T25 VanDerWaalsContact CG-OG1 3.3Å; D23-T25 PolarHBondContact O-N 2.85Å; D23-T25 WeakPolarHBondContact OD1-CB 3.45Å; D23-T25 PolarHBondContact OD1-N 2.76Å; D23-T25 PolarHBondContact OD1-OG1 2.81Å; D23-T25 PolarHBondContact OD2-OG1 3.45Å; D23-D26 HydrophobicContact CB-CB 4.13Å; D23-D26 WeakPolarHBondContact O-CB 3.41Å; D23-D26 PolarHBondContact O-N 2.97Å; D23-Y29 VanDerWaalsContact O-CB 3.26Å; D23-Y29 WeakPolarHBondContact O-CB 3.38Å; D23-Y29 WeakPolarHBondContact O-CD2 3.35Å; D23-Y29 VanDerWaalsContact O-CG 3.29Å | ||
| 24 | R | 96.9 | Very high | 96.4 | Very high | 199 Ų | 199 | 86.8 Ų | 86.8 | 75% | 0.751 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -14.9 | -179.3 | -60.4 | -175.9 | -178.6 | 176.8 | 2.8 | 113.7 | Y22 Y29 | Y22-R24 PolarHBondContact O-N 2.96Å; R24-Y29 HydrophobicContact CB-CD1 4.35Å; R24-Y29 HydrophobicContact CB-CE1 4.27Å; R24-Y29 HydrophobicContact CG-CD1 4.3Å; R24-Y29 HydrophobicContact CG-CE1 3.75Å; R24-Y29 HydrophobicContact CG-CE2 4.26Å |
| 25 | T | 97.5 | Very high | 96.4 | Very high | 124 Ų | 124 | 87.8 Ų | 87.8 | 76% | 0.761 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -13 | 177.4 | 71 | 0 | 0 | 0 | 0 | 112.3 | D23 E27 | D23-T25 VanDerWaalsContact CG-OG1 3.3Å; D23-T25 PolarHBondContact O-N 2.85Å; D23-T25 WeakPolarHBondContact OD1-CB 3.45Å; D23-T25 PolarHBondContact OD1-N 2.76Å; D23-T25 PolarHBondContact OD1-OG1 2.81Å; D23-T25 PolarHBondContact OD2-OG1 3.45Å; T25-E27 PolarHBondContact O-N 3.12Å |
| 26 | D | 96.5 | Very high | 96.4 | Very high | 30 Ų | 30 | 90.3 Ų | 90.3 | 16% | 0.16 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -64 | 127.9 | 172.1 | -169 | -54.5 | 0 | 0 | 0 | 109.7 | T19 A20 D23 N28 Y29 | T19-D26 WeakPolarHBondContact CB-OD2 3.22Å; T19-D26 PolarHBondContact OG1-OD2 3.39Å; A20-D26 PolarHBondContact N-OD2 2.99Å; D23-D26 HydrophobicContact CB-CB 4.13Å; D23-D26 WeakPolarHBondContact O-CB 3.41Å; D23-D26 PolarHBondContact O-N 2.97Å; D26-N28 PolarHBondContact O-N 3.04Å; D26-N28 WeakPolarHBondContact OD1-CA 3.46Å; D26-N28 VanDerWaalsContact OD1-CB 3.25Å; D26-N28 WeakPolarHBondContact OD1-CB 3.34Å; D26-N28 PolarHBondContact OD1-N 2.97Å; D26-Y29 WeakPolarHBondContact O-CB 3.38Å; D26-Y29 PolarHBondContact O-N 2.54Å |
| 27 | E | 96.7 | Very high | 96.4 | Very high | 154 Ų | 154 | 88.2 Ų | 88.2 | 72% | 0.72 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -21.7 | 179.2 | 56.4 | 164 | -156.2 | 0 | 0 | 113.1 | T25 K31 | T25-E27 PolarHBondContact O-N 3.12Å; E27-K31 WeakPolarHBondContact O-CE 3.21Å; E27-K31 PolarHBondContact O-NZ 2.88Å |
| 28 | N | 96.7 | Very high | 96.5 | Very high | 43 Ų | 43 | 82.5 Ų | 82.5 | 23% | 0.23 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | 3.3 | -179.1 | -61.9 | -48.9 | 0 | 0 | 0 | 113.3 | A20 D26 R30 K31 P34 | A20-N28 HydrophobicContact CB-CB 4.11Å; D26-N28 PolarHBondContact O-N 3.04Å; D26-N28 WeakPolarHBondContact OD1-CA 3.46Å; D26-N28 VanDerWaalsContact OD1-CB 3.25Å; D26-N28 WeakPolarHBondContact OD1-CB 3.34Å; D26-N28 PolarHBondContact OD1-N 2.97Å; N28-R30 PolarHBondContact O-N 2.98Å; N28-K31 HydrophobicContact CB-CD 4.48Å; N28-K31 WeakPolarHBondContact O-CB 3.19Å; N28-K31 PolarHBondContact O-N 3.25Å; N28-K31 PolarHBondContact OD1-NZ 3.05Å; N28-P34 HydrophobicContact CB-CB 3.74Å; N28-P34 HydrophobicContact CB-CG 3.93Å |
| 29 | Y | 96.1 | Very high | 96.5 | Very high | 53 Ų | 53 | 87 Ų | 87 | 21% | 0.208 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | 124 | 177.7 | -176.8 | -116.5 | 0 | 0 | 0 | 112.2 | D23 R24 D26 K31 | D23-Y29 VanDerWaalsContact O-CB 3.26Å; D23-Y29 WeakPolarHBondContact O-CB 3.38Å; D23-Y29 WeakPolarHBondContact O-CD2 3.35Å; D23-Y29 VanDerWaalsContact O-CG 3.29Å; R24-Y29 HydrophobicContact CB-CD1 4.35Å; R24-Y29 HydrophobicContact CB-CE1 4.27Å; R24-Y29 HydrophobicContact CG-CD1 4.3Å; R24-Y29 HydrophobicContact CG-CE1 3.75Å; R24-Y29 HydrophobicContact CG-CE2 4.26Å; D26-Y29 WeakPolarHBondContact O-CB 3.38Å; D26-Y29 PolarHBondContact O-N 2.54Å; Y29-K31 PolarHBondContact O-N 3.45Å |
| 30 | R | 90.4 | Very high | 96.5 | Very high | 188 Ų | 188 | 89.8 Ų | 89.8 | 71% | 0.709 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 10.9 | -178.9 | -65.4 | 179.3 | 174.4 | 173.6 | -2.6 | 115.6 | N28 R32 | N28-R30 PolarHBondContact O-N 2.98Å; R30-R32 PolarHBondContact O-N 3.34Å |
| 31 | K | 96.8 | Very high | 96.4 | Very high | 98 Ų | 98 | 93.8 Ų | 93.8 | 43% | 0.426 | 43% | 0.43 | S | S | . | . | trans | -70.4 | 131.8 | 167.1 | -67.1 | -172.1 | -169.3 | 152.1 | 0 | 108.1 | E27 N28 Y29 P34 S35 | E27-K31 WeakPolarHBondContact O-CE 3.21Å; E27-K31 PolarHBondContact O-NZ 2.88Å; N28-K31 HydrophobicContact CB-CD 4.48Å; N28-K31 WeakPolarHBondContact O-CB 3.19Å; N28-K31 PolarHBondContact O-N 3.25Å; N28-K31 PolarHBondContact OD1-NZ 3.05Å; Y29-K31 PolarHBondContact O-N 3.45Å; K31-P34 HydrophobicContact CB-CB 4.39Å; K31-P34 HydrophobicContact CB-CG 3.75Å; K31-P34 HydrophobicContact CD-CG 4.36Å; K31-P34 WeakPolarHBondContact O-CD 3.09Å; K31-S35 VanDerWaalsContact O-CB 3.31Å; K31-S35 WeakPolarHBondContact O-CB 3.26Å; K31-S35 PolarHBondContact O-N 3.32Å; K31-S35 PolarHBondContact O-OG 3.3Å | ||
| 32 | R | 96.2 | Very high | 96.4 | Very high | 195 Ų | 195 | 92.3 Ų | 92.3 | 74% | 0.736 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -55 | -59.4 | -173.6 | -178.7 | 178.1 | 172.5 | -173.2 | -2.8 | 112.9 | R30 S35 E36 | R30-R32 PolarHBondContact O-N 3.34Å; R32-S35 PolarHBondContact O-N 3Å; R32-S35 VanDerWaalsContact O-N 3.17Å; R32-E36 HydrophobicContact CG-CG 4.43Å; R32-E36 WeakPolarHBondContact CG-OE1 3.35Å; R32-E36 IonicContact CZ-OE1 3.45Å; R32-E36 IonicContact NE-OE1 3.99Å; R32-E36 PolarHBondContact NE-OE1 3.05Å; R32-E36 IonicContact NE-OE2 3.6Å; R32-E36 IonicContact NH2-OE1 2.83Å; R32-E36 PolarHBondContact NH2-OE1 3.22Å; R32-E36 WeakPolarHBondContact O-CG 3.33Å; R32-E36 PolarHBondContact O-N 3.4Å |
| 33 | L | 97.4 | Very high | 96.4 | Very high | 110 Ų | 110 | 89.7 Ų | 89.7 | 58% | 0.576 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -62.5 | -46.8 | -175.4 | 178.1 | 69 | 0 | 0 | 0 | 112.9 | S35 E36 N37 | L33-S35 VanDerWaalsContact C-N 3.29Å; L33-S35 PolarHBondContact O-N 3.17Å; L33-E36 PolarHBondContact O-N 2.99Å; L33-N37 WeakPolarHBondContact O-CB 3.25Å; L33-N37 VanDerWaalsContact O-CG 3.26Å; L33-N37 PolarHBondContact O-N 2.72Å |
| 34 | P | 97 | Very high | 96.2 | Very high | 35 Ų | 35 | 90.1 Ų | 90.1 | 23% | 0.227 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -59.2 | -37.3 | 172.7 | -28.7 | 37.4 | 0 | 0 | 0 | 114.1 | A20 N28 K31 A38 | A20-P34 HydrophobicContact CB-CB 4.41Å; N28-P34 HydrophobicContact CB-CB 3.74Å; N28-P34 HydrophobicContact CB-CG 3.93Å; K31-P34 HydrophobicContact CB-CB 4.39Å; K31-P34 HydrophobicContact CB-CG 3.75Å; K31-P34 HydrophobicContact CD-CG 4.36Å; K31-P34 WeakPolarHBondContact O-CD 3.09Å; P34-A38 VanDerWaalsContact O-CB 3.23Å; P34-A38 WeakPolarHBondContact O-CB 3.23Å; P34-A38 PolarHBondContact O-N 3.41Å |
| 35 | S | 95.9 | Very high | 95.9 | Very high | 24 Ų | 24 | 83.5 Ų | 83.5 | 17% | 0.168 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -68.9 | -42.2 | 177.9 | -56 | 0 | 0 | 0 | 0 | 111.8 | K31 R32 L33 A38 W39 | K31-S35 VanDerWaalsContact O-CB 3.31Å; K31-S35 WeakPolarHBondContact O-CB 3.26Å; K31-S35 PolarHBondContact O-N 3.32Å; K31-S35 PolarHBondContact O-OG 3.3Å; R32-S35 PolarHBondContact O-N 3Å; R32-S35 VanDerWaalsContact O-N 3.17Å; L33-S35 VanDerWaalsContact C-N 3.29Å; L33-S35 PolarHBondContact O-N 3.17Å; S35-A38 PolarHBondContact O-N 3.34Å; S35-W39 PolarHBondContact O-N 3.5Å |
| 36 | E | 97.4 | Very high | 95.5 | Very high | 84 Ų | 84 | 79.1 Ų | 79.1 | 39% | 0.393 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.1 | -51 | 174.8 | -73.2 | 170.4 | 174.7 | 0 | 0 | 110.2 | R32 L33 A38 W39 D40 | R32-E36 HydrophobicContact CG-CG 4.43Å; R32-E36 WeakPolarHBondContact CG-OE1 3.35Å; R32-E36 IonicContact CZ-OE1 3.45Å; R32-E36 IonicContact NE-OE1 3.99Å; R32-E36 PolarHBondContact NE-OE1 3.05Å; R32-E36 IonicContact NE-OE2 3.6Å; R32-E36 IonicContact NH2-OE1 2.83Å; R32-E36 PolarHBondContact NH2-OE1 3.22Å; R32-E36 WeakPolarHBondContact O-CG 3.33Å; R32-E36 PolarHBondContact O-N 3.4Å; L33-E36 PolarHBondContact O-N 2.99Å; E36-A38 VanDerWaalsContact C-N 3.32Å; E36-A38 PolarHBondContact O-N 3.05Å; E36-W39 PolarHBondContact O-N 3.13Å; E36-W39 VanDerWaalsContact O-N 3.13Å; E36-D40 PolarHBondContact O-N 3.34Å |
| 37 | N | 97.6 | Very high | 94.7 | Very high | 85 Ų | 85 | 80.8 Ų | 80.8 | 46% | 0.455 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -59.2 | -41 | 176.9 | -68 | -9.5 | 0 | 0 | 0 | 112.7 | L33 W39 D40 M41 | L33-N37 WeakPolarHBondContact O-CB 3.25Å; L33-N37 VanDerWaalsContact O-CG 3.26Å; L33-N37 PolarHBondContact O-N 2.72Å; N37-W39 VanDerWaalsContact C-N 3.34Å; N37-W39 PolarHBondContact O-N 2.9Å; N37-D40 PolarHBondContact O-N 2.96Å; N37-M41 WeakPolarHBondContact O-CG 2.91Å; N37-M41 PolarHBondContact O-N 3.03Å |
| 38 | A | 97.3 | Very high | 93.3 | Very high | 4 Ų | 4 | 82.2 Ų | 82.2 | 3% | 0.033 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -62.2 | -41.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | Q18 L21 P34 S35 E36 M41 V42 | Q18-A38 HydrophobicContact CB-CB 3.82Å; Q18-A38 HydrophobicContact CG-CB 4.13Å; L21-A38 HydrophobicContact CD1-CB 4.13Å; L21-A38 HydrophobicContact CD2-CB 3.72Å; L21-A38 HydrophobicContact CG-CB 3.78Å; P34-A38 VanDerWaalsContact O-CB 3.23Å; P34-A38 WeakPolarHBondContact O-CB 3.23Å; P34-A38 PolarHBondContact O-N 3.41Å; S35-A38 PolarHBondContact O-N 3.34Å; E36-A38 VanDerWaalsContact C-N 3.32Å; E36-A38 PolarHBondContact O-N 3.05Å; A38-M41 PolarHBondContact O-N 3.47Å; A38-V42 WeakPolarHBondContact O-CG2 3.39Å; A38-V42 PolarHBondContact O-N 2.74Å |
| 39 | W | 96.6 | Very high | 91.3 | Very high | 135 Ų | 135 | 87 Ų | 87 | 51% | 0.511 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -68.1 | -36.4 | 175.6 | -77.2 | 120.3 | 0 | 0 | 0 | 112.8 | V15 L21 S35 E36 N37 M41 V42 A43 | V15-W39 HydrophobicContact CG2-CH2 4.17Å; V15-W39 HydrophobicContact CG2-CZ3 3.95Å; L21-W39 HydrophobicContact CD1-CD2 4.12Å; L21-W39 HydrophobicContact CD1-CE3 4.28Å; L21-W39 HydrophobicContact CD1-CH2 4.21Å; L21-W39 HydrophobicContact CD1-CZ2 4.05Å; L21-W39 HydrophobicContact CD1-CZ3 4.33Å; L21-W39 HydrophobicContact CD2-CD2 4.25Å; L21-W39 HydrophobicContact CD2-CG 4.27Å; L21-W39 HydrophobicContact CD2-CZ2 4.25Å; S35-W39 PolarHBondContact O-N 3.5Å; E36-W39 PolarHBondContact O-N 3.13Å; E36-W39 VanDerWaalsContact O-N 3.13Å; N37-W39 VanDerWaalsContact C-N 3.34Å; N37-W39 PolarHBondContact O-N 2.9Å; W39-M41 VanDerWaalsContact C-N 3.3Å; W39-M41 PolarHBondContact O-N 3.33Å; W39-V42 HydrophobicContact CE3-CB 4.14Å; W39-V42 HydrophobicContact CE3-CG1 4.21Å; W39-V42 HydrophobicContact CE3-CG2 4.39Å; W39-V42 HydrophobicContact CZ3-CG1 4.18Å; W39-V42 PolarHBondContact O-N 3.4Å; W39-A43 WeakPolarHBondContact O-CB 3.5Å; W39-A43 PolarHBondContact O-N 2.92Å |
| 40 | D | 96.9 | Very high | 91.1 | Very high | 111 Ų | 111 | 88.7 Ų | 88.7 | 59% | 0.594 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -60.6 | -41 | 172.7 | -71.4 | -22.3 | 0 | 0 | 0 | 111.3 | E36 N37 A43 S44 | E36-D40 PolarHBondContact O-N 3.34Å; N37-D40 PolarHBondContact O-N 2.96Å; D40-A43 PolarHBondContact O-N 3.37Å; D40-S44 PolarHBondContact O-N 3.17Å; D40-S44 PolarHBondContact O-OG 3.45Å |
| 41 | M | 96.3 | Very high | 91.1 | Very high | 96 Ų | 96 | 83.4 Ų | 83.4 | 47% | 0.473 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -66.2 | -40.1 | 174.7 | -66.3 | -61.2 | -65.8 | 0 | 0 | 112.7 | N37 A38 W39 S44 E45 | N37-M41 WeakPolarHBondContact O-CG 2.91Å; N37-M41 PolarHBondContact O-N 3.03Å; A38-M41 PolarHBondContact O-N 3.47Å; W39-M41 VanDerWaalsContact C-N 3.3Å; W39-M41 PolarHBondContact O-N 3.33Å; M41-S44 PolarHBondContact O-OG 3.22Å; M41-E45 WeakPolarHBondContact O-CG 3.43Å; M41-E45 PolarHBondContact O-N 2.99Å; M41-E45 VanDerWaalsContact O-N 3.17Å |
| 42 | V | 96.3 | Very high | 90.8 | Very high | 4 Ų | 4 | 82.6 Ų | 82.6 | 2% | 0.024 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -64 | -42.9 | 174.9 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | L11 V15 Q18 L21 A38 W39 E45 V46 | L11-V42 HydrophobicContact CD1-CG1 3.6Å; V15-V42 HydrophobicContact CG2-CG1 4.06Å; V15-V42 HydrophobicContact CG2-CG2 4.05Å; Q18-V42 HydrophobicContact CG-CG2 3.88Å; L21-V42 HydrophobicContact CD1-CG2 4.3Å; A38-V42 WeakPolarHBondContact O-CG2 3.39Å; A38-V42 PolarHBondContact O-N 2.74Å; W39-V42 HydrophobicContact CE3-CB 4.14Å; W39-V42 HydrophobicContact CE3-CG1 4.21Å; W39-V42 HydrophobicContact CE3-CG2 4.39Å; W39-V42 HydrophobicContact CZ3-CG1 4.18Å; W39-V42 PolarHBondContact O-N 3.4Å; V42-E45 PolarHBondContact O-N 2.73Å; V42-V46 HydrophobicContact CG1-CG2 4.31Å; V42-V46 VanDerWaalsContact O-CG2 3.31Å; V42-V46 WeakPolarHBondContact O-CG2 3.36Å; V42-V46 PolarHBondContact O-N 2.99Å |
| 43 | A | 94.3 | Very high | 90.4 | Very high | 60 Ų | 60 | 76 Ų | 76 | 50% | 0.496 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.9 | -39.2 | 180 | 0 | 0 | 0 | 0 | 0 | 112.3 | W39 D40 G47 | W39-A43 WeakPolarHBondContact O-CB 3.5Å; W39-A43 PolarHBondContact O-N 2.92Å; D40-A43 PolarHBondContact O-N 3.37Å; A43-G47 WeakPolarHBondContact O-CA 3.45Å; A43-G47 PolarHBondContact O-N 2.83Å |
| 44 | S | 93.7 | Very high | 90 | Very high | 60 Ų | 60 | 73.9 Ų | 73.9 | 42% | 0.42 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -66.3 | -37.8 | 176.4 | 68.3 | 0 | 0 | 0 | 0 | 112.3 | D40 M41 | D40-S44 PolarHBondContact O-N 3.17Å; D40-S44 PolarHBondContact O-OG 3.45Å; M41-S44 PolarHBondContact O-OG 3.22Å |
| 45 | E | 91 | Very high | 89.5 | Confident | 60 Ų | 60 | 76.5 Ų | 76.5 | 28% | 0.28 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -69.8 | -43 | 176.6 | -72.3 | -170.7 | 172.2 | 0 | 0 | 112.6 | M10 S14 K17 M41 V42 | M10-E45 WeakPolarHBondContact CE-O 3.31Å; S14-E45 VanDerWaalsContact CB-OE2 3.22Å; S14-E45 WeakPolarHBondContact CB-OE2 3.44Å; S14-E45 WeakPolarHBondContact OG-CB 3.39Å; S14-E45 PolarHBondContact OG-OE2 2.92Å; K17-E45 IonicContact NZ-OE1 2.81Å; K17-E45 PolarHBondContact NZ-OE1 2.95Å; K17-E45 IonicContact NZ-OE2 2.77Å; K17-E45 PolarHBondContact NZ-OE2 2.95Å; M41-E45 WeakPolarHBondContact O-CG 3.43Å; M41-E45 PolarHBondContact O-N 2.99Å; M41-E45 VanDerWaalsContact O-N 3.17Å; V42-E45 PolarHBondContact O-N 2.73Å |
| 46 | V | 89.3 | Confident | 89.1 | Confident | 32 Ų | 32 | 80.2 Ų | 80.2 | 19% | 0.194 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -84.1 | -28.9 | -174.3 | -179 | 0 | 0 | 0 | 0 | 112.9 | M10 L11 V42 | M10-V46 HydrophobicContact CG-CG2 4.49Å; L11-V46 HydrophobicContact CB-CG2 4.34Å; L11-V46 HydrophobicContact CD1-CG2 4.19Å; V42-V46 HydrophobicContact CG1-CG2 4.31Å; V42-V46 VanDerWaalsContact O-CG2 3.31Å; V42-V46 WeakPolarHBondContact O-CG2 3.36Å; V42-V46 PolarHBondContact O-N 2.99Å |
| 47 | G | 79.6 | Confident | 88.5 | Confident | 66 Ų | 66 | 79.9 Ų | 79.9 | 68% | 0.68 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -80 | -13.9 | -174 | 0 | 0 | 0 | 0 | 0 | 115.6 | A43 S49 | A43-G47 WeakPolarHBondContact O-CA 3.45Å; A43-G47 PolarHBondContact O-N 2.83Å; G47-S49 PolarHBondContact O-N 2.95Å |
| 48 | E | 67.2 | Low | 87.7 | Confident | 183 Ų | 183 | 79.5 Ų | 79.5 | 86% | 0.855 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | 17.4 | 176.4 | -70.1 | -164.4 | 169.8 | 0 | 0 | 114.1 | ||
| 49 | S | 54.1 | Low | 86.8 | Confident | 143 Ų | 143 | 86.4 Ų | 86.4 | 100% | 1 | 50% | 0.502 | S | S | * | . | trans | -90 | 0 | -177.1 | -176 | 0 | 0 | 0 | 0 | 115.4 | G47 | G47-S49 PolarHBondContact O-N 2.95Š|
Retrieved 49 of 49 residues in 53.3 ms
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